5-amino-4-fluoro-2-methoxybenzoic acid | 151793-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-amino-4-fluoro-2-methoxybenzoic acid
• CAS: 151793-19-0
• 化学式: C₈H₈FNO₃
• 分子量: 185.155
• InChiKey: ZDGWLOHWWWSPFM-UHFFFAOYSA-N

物化性质

• 沸点：
  338.4±42.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-amino-4-fluoro-2-methoxybenzoic acid 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 5-amino-N-[2-(diethylamino)ethyl]-4-fluoro-2-methoxybenzamide
  参考文献：
  名称：

  Synthesis and preliminary data on new selective and potent gastric prokinetic substituted benzamides

  摘要：

  A series of amino-halogen-N-[2-aminoethyl] benzamides was synthesized and evaluated for enhancing gastric emptying. Compared to metoclopramide, domperidone and bromopride, a number of compounds were shown to be more active in enhancing gastric motility (rat stomach emptying), devoid of dopaminergic D2-receptor antagonism (rat apomorphine test) and to be less toxic.

  DOI：

  10.1016/0223-5234(93)90129-3
• 作为产物：
  描述：

  methyl 4-fluoro-2-methoxy-5-nitrobenzoate 在 Ni-Raney sodium hydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 5-amino-4-fluoro-2-methoxybenzoic acid
  参考文献：
  名称：

  Synthesis and preliminary data on new selective and potent gastric prokinetic substituted benzamides

  摘要：

  A series of amino-halogen-N-[2-aminoethyl] benzamides was synthesized and evaluated for enhancing gastric emptying. Compared to metoclopramide, domperidone and bromopride, a number of compounds were shown to be more active in enhancing gastric motility (rat stomach emptying), devoid of dopaminergic D2-receptor antagonism (rat apomorphine test) and to be less toxic.

  DOI：

  10.1016/0223-5234(93)90129-3

文献信息

• Synthesis and preliminary data on new selective and potent gastric prokinetic substituted benzamides
  作者：L Del Corona、G Signorelli、A Pinzetta、G Coppi

  DOI：10.1016/0223-5234(93)90129-3

  日期：1993.1

  A series of amino-halogen-N-[2-aminoethyl] benzamides was synthesized and evaluated for enhancing gastric emptying. Compared to metoclopramide, domperidone and bromopride, a number of compounds were shown to be more active in enhancing gastric motility (rat stomach emptying), devoid of dopaminergic D2-receptor antagonism (rat apomorphine test) and to be less toxic.